3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one

C22H23NO3 — CID 74603716

IUPAC3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one
SMILESO=C1C(=Cc2ccc(OCCN3CCCC3)cc2)COc2ccccc21
InChIInChI=1S/C22H23NO3/c24-22-18(16-26-21-6-2-1-5-20(21)22)15-17-7-9-19(10-8-17)25-14-13-23-11-3-4-12-23/h1-2,5-10,15H,3-4,11-14,16H2
InChIKeyXCDYHRHTVFMUBH-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.82
Rot. Bonds5

About 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one

3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one (PubChem CID 74603716) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one.

Molecular Properties

Compound Name3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one
PubChem CID74603716
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one
SMILESO=C1C(=Cc2ccc(OCCN3CCCC3)cc2)COc2ccccc21
InChIInChI=1S/C22H23NO3/c24-22-18(16-26-21-6-2-1-5-20(21)22)15-17-7-9-19(10-8-17)25-14-13-23-11-3-4-12-23/h1-2,5-10,15H,3-4,11-14,16H2
InChIKeyXCDYHRHTVFMUBH-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(Z)-(4-oxochromen-3-ylidene)methyl]phenoxy]propanoic acid
CID 94132512
(3E)-7-hydroxy-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]chromen-4-one
CID 118734124
(3E)-7-ethoxy-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]chromen-4-one;hydrochloride
CID 118734143
(3E)-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one
CID 118734146
2-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetonitrile
CID 9030486
(3Z)-3-[[4-(difluoromethoxy)phenyl]methylidene]chromen-4-one
CID 2444531
(3E)-3-[[4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]-7-phenylmethoxychromen-4-one;hydrochloride
CID 118734147
3-[(4-bromophenyl)methylidene]chromen-4-one
CID 915612
methyl 4-[[4-[(4-oxochromen-3-ylidene)methyl]phenoxy]methyl]benzoate
CID 5092070
(2E,5E)-2,5-bis[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]cyclopentan-1-one
CID 71518525
(2E,5E)-2,5-bis[[4-[4-(azepan-1-yl)butoxy]phenyl]methylidene]cyclopentan-1-one
CID 71519171
(2Z)-2-[(4-methoxyphenyl)methylidene]-6-(2-piperidin-1-ylethoxy)-1-benzofuran-3-one;hydrochloride
CID 118723572

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one?
The IUPAC name of 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one (CID 74603716) is 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one.
What is the SMILES notation for 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one?
The canonical SMILES for 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one is O=C1C(=Cc2ccc(OCCN3CCCC3)cc2)COc2ccccc21.
What is the InChIKey of 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one?
The InChIKey is XCDYHRHTVFMUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c24-22-18(16-26-21-6-2-1-5-20(21)22)15-17-7-9-19(10-8-17)25-14-13-23-11-3-4-12-23/h1-2,5-10,15H,3-4,11-14,16H2.
What are the key properties of 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one?
3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one has a molecular weight of 349.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]chromen-4-one is sourced from PubChem (CID 74603716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).